V027-9532 Screening compound: [3-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](morpholino)methanone

V027-9532 Screening compound: [3-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](morpholino)methanone
V027-9532 Screening compound: [3-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](morpholino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-9532
[3-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](morpholino)methanone

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V027-9532

Molecular Formula

C27H25ClN4O2S (C27 H25 ClN4 O2 S)

Compound Name

[3-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](morpholino)methanone

IUPAC name

4-[3-({[5-benzyl-4-(3-chlorophenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzoyl]morpholine

SMILES

O=C(c1cccc(CSc2nnc(Cc3ccccc3)n2-c2cccc(Cl)c2)c1)N1CCOCC1

InChI

InChI=1S/C27H25ClN4O2S/c28-23-10-5-11-24(18-23)32-25(17-20-6-2-1-3-7-20)29-30-27(32)35-19-21-8-4-9-22(16-21)26(33)31-12-14-34-15-13-31/h1-11,16,18H,12-15,17,19H2

InChI Key

WZHMVULTZNNVNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27632442

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

505.04

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.315

Distribution Coefficient, logD

4.315

Water Solubility, LogSw

-4.52

Polar Surface Area

50.246

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

V027-9532 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

PI3K-Targeted Library (17255 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with V027-9532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-9532?
Check Price and Availability of V027-9532, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V027-9532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-9532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-9532
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V027-9532 available by request